Geometry & MOs

Info

ID:	252944
PubChem CID:	103115059
Reduced:	N4O4H12C13 (1)
Stoich.:	A4B4C12D13 (1)
Weight, g/mol:	307.108754
ΔH_f, kcal/mol:	-17.66
Dipole, Da:	3.01
IP(EA), eV:	-9.67(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[(2-chlorophenyl)methyl]-1-propan-2-yltriazole-4-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC2=C(C=CN=N2)C(=O)O

DOS

IR

Vibrations